SCHEMBL4680939

SCHEMBL4680939

COc1cc(Br)c2c(c1)N(Cc1ccccc1)C(=O)CO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HTR6 P50406 1/20 0.49
MDH2 P40926 2/20 0.44
BRD4 O60885 2/20 0.43
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
CMA1 P23946 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SLC5A2 P31639 1/20 0.40
PIK3CG P48736 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4682315 0.90 L3MBTL1 (0.50) L3MBTL1HTR6GSK3BALDH1A1MAPT
SCHEMBL4678511 0.86 TSHR (0.57) L3MBTL1ALDH1A1MAPTCBX7CDYL2
SCHEMBL4674621 0.85 HTR6 (0.51) L3MBTL1HTR6MDH2BRD4SLC5A2
SCHEMBL4675239 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPTCBX7CDYL2
SCHEMBL4674304 0.83 HTR6 (0.71) L3MBTL1HTR6MDH2GSK3B
Hydrochloric Acid SCHEMBL4678995 0.82 HTR6 (0.70) L3MBTL1HTR6MDH2MAPT
SCHEMBL4677545 0.82 HTR6 (0.51) L3MBTL1HTR6MDH2BRD4GSK3B
SCHEMBL4676101 0.82 HTR6 (0.65) L3MBTL1HTR6MDH2BRD4GSK3B
SCHEMBL16131515 0.81 L3MBTL1 (0.70) L3MBTL1HTR6MDH2GSK3BALDH1A1
SCHEMBL12415694 0.79 L3MBTL1 (0.56) L3MBTL1HTR6MDH2BRD4GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 L3MBTL1 4721/4885HTR6 399/4885MDH2 1439/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.